%{!?openblas_arches:%global openblas_arches x86_64 %{ix86} armv7hl %{power64} aarch64 s390x} %ifnarch %{openblas_arches} # matches openblas/scalapack ExclusiveArch %global with_atlas 1 %endif %ifnarch s390 s390x %global with_papi 1 %endif %bcond_without check %global sover 14 Summary: High-performance library for parallel solution of eigenvalue problems Name: elpa Version: 2019.05.002 Release: 3%{?dist} URL: https://elpa.mpcdf.mpg.de/software Source0: https://elpa.mpcdf.mpg.de/html/Releases/%{version}/elpa-%{version}.tar.gz Source1: https://elpa.mpcdf.mpg.de/html/Releases/%{version}/elpa-%{version}.tar.gz.asc Source2: gpg-keyring-26BC8F899C6A2698BDD6EF6A69260748A5F870B5.gpg # drop _onenode suffix from non-MPI builds Patch1: elpa-onenode.patch # fix typos in VSX code Patch2: elpa-vsx.patch # fix detection of AVX(2) compiler support and use them only in the library Patch3: elpa-simd.patch # fix test errors on aarch64 Patch4: elpa-aarch64-no-fma.patch # fix test errors on x86_64 Patch5: elpa-merge.patch License: LGPLv3+ %if %{with atlas} BuildRequires: atlas-devel %else BuildRequires: openblas-devel %endif BuildRequires: gcc-gfortran BuildRequires: gnupg2 BuildRequires: libtool BuildRequires: /usr/bin/execstack %if %{with papi} BuildRequires: papi-devel %endif Requires: %{name}-common = %{version}-%{release} %description ELPA is a Fortran-based high-performance computational library for the (massively) parallel solution of symmetric or Hermitian, standard or generalized eigenvalue problems. This is the kind of eigenvalue problem which is frequently encountered in Electronic Structure Theory (solution of Schrödinger's Equation or variants thereof), but also in many other fields. Typically, the solution effort scales as O(size^3), where "size" is a measure of the system size, for example the dimension of the associated matrices or the number of required eigenvalue/eigenvector pairs (less than or equal to the matrix dimension). Thus, an algebraically exact solution of the eigenproblem may quickly become the bottleneck in a practical application. %package common Summary: Common files for ELPA BuildArch: noarch %description common ELPA is a Fortran-based high-performance computational library for the (massively) parallel solution of symmetric or Hermitian, standard or generalized eigenvalue problems. This package contains common files for ELPA. %package common-devel Summary: Common development files for ELPA (non-MPI version) Requires: %{name}-common = %{version}-%{release} %description common-devel ELPA is a Fortran-based high-performance computational library for the (massively) parallel solution of symmetric or Hermitian, standard or generalized eigenvalue problems. This package contains the common development files for ELPA (non-MPI version). %package devel Summary: Development files for ELPA (non-MPI version) Requires: %{name}%{?_isa} = %{version}-%{release} Requires: %{name}-common-devel = %{version}-%{release} %description devel ELPA is a Fortran-based high-performance computational library for the (massively) parallel solution of symmetric or Hermitian, standard or generalized eigenvalue problems. This package contains the development files for ELPA (non-MPI version). %package mpich Summary: Fast library for parallel solution of eigenvalue problems (MPICH version) BuildRequires: mpich-devel BuildRequires: blacs-mpich-devel BuildRequires: scalapack-mpich-devel Requires: %{name}-common = %{version}-%{release} %description mpich ELPA is a Fortran-based high-performance computational library for the (massively) parallel solution of symmetric or Hermitian, standard or generalized eigenvalue problems. This package contains ELPA built against MPICH. %package mpich-devel Summary: Development files for ELPA (MPICH version) Requires: %{name}-mpich%{?_isa} = %{version}-%{release} Requires: gcc-gfortran%{?_isa} Requires: %{name}-common-devel = %{version}-%{release} Provides: %{name}-mpi-devel = %{version}-%{release} %description mpich-devel ELPA is a Fortran-based high-performance computational library for the (massively) parallel solution of symmetric or Hermitian, standard or generalized eigenvalue problems. This package contains the development files for ELPA (MPICH version). %package openmpi Summary: Fast library for parallel solution of eigenvalue problems (OpenMPI version) # required for running the testsuite %if %{with check} BuildRequires: rsh %endif BuildRequires: openmpi-devel BuildRequires: blacs-openmpi-devel BuildRequires: scalapack-openmpi-devel Requires: %{name}-common = %{version}-%{release} %description openmpi ELPA is a Fortran-based high-performance computational library for the (massively) parallel solution of symmetric or Hermitian, standard or generalized eigenvalue problems. This package contains ELPA built against OpenMPI. %package openmpi-devel Summary: Development files for ELPA (OpenMPI version) Requires: %{name}-openmpi%{?_isa} = %{version}-%{release} Requires: gcc-gfortran%{?_isa} Requires: %{name}-common-devel = %{version}-%{release} Provides: %{name}-mpi-devel = %{version}-%{release} %description openmpi-devel ELPA is a Fortran-based high-performance computational library for the (massively) parallel solution of symmetric or Hermitian, standard or generalized eigenvalue problems. This package contains the development files for ELPA (OpenMPI version). %prep gpgv2 --keyring %{S:2} %{S:1} %{S:0} %setup -q -c -T -a 0 mv elpa-%{version} mpich pushd mpich %patch1 -p1 -b .onenode %patch2 -p1 -b .vsx %patch3 -p1 -b .simd %patch4 -p1 -b .aarch64-no-fma %patch5 -p1 -b .merge autoreconf -vifs popd cp -pr mpich openmpi cp -pr mpich serial mkdir _openmp cp -pr mpich openmpi serial _openmp/ %build %global defopts --disable-silent-rules --disable-static --docdir=%{_pkgdocdir} --enable-legacy-interface %global ldflags %{__global_ldflags} %if %{with atlas} %global ldflags %{ldflags} -L%{_libdir}/atlas %endif %global fcflags %{optflags} -I%{_fmoddir} -ffree-line-length-none -fallow-argument-mismatch . /etc/profile.d/modules.sh for mpi in '' mpich openmpi ; do export CFLAGS="%{optflags}" export LDFLAGS="%{ldflags}" export FCFLAGS="%{fcflags}" if [ -n "$mpi" ]; then module load mpi/${mpi}-%{_arch} export LDFLAGS="${LDFLAGS} -L$MPI_LIB" export FCFLAGS="${FCFLAGS} -I$MPI_FORTRAN_MOD_DIR" fi for s in '' _openmp ; do pushd ${s:-.}/${mpi:-serial} if [ -n "$mpi" ]; then fmoddir="$MPI_FORTRAN_MOD_DIR" mpiflag="--libdir=$MPI_LIB" else fmoddir="%{_fmoddir}" mpiflag="--with-mpi=no" fi sed -i -e "s,\${includedir}/elpa@SUFFIX@-@PACKAGE_VERSION@/modules,${fmoddir}," elpa.pc.in %configure %{defopts} \ %ifarch aarch64 --enable-neon-arch64 \ %endif %ifarch ppc64le --enable-vsx \ %endif %ifnarch x86_64 --disable-sse-assembly \ --disable-sse \ --disable-avx \ --disable-avx2 \ %endif ${s:+--enable-openmp} \ %if %{with papi} --with-papi \ %endif $mpiflag || cat config.log make %{?_smp_mflags} V=1 popd done if [ -n "$mpi" ]; then module unload mpi/${mpi}-%{_arch} fi done %install . /etc/profile.d/modules.sh for s in '' _openmp ; do # install serial last to avoid overwriting non-MPI binaries in _bindir for mpi in mpich openmpi '' ; do pushd ${s:-.}/${mpi:-serial} make DESTDIR=%{buildroot} install if [ -n "$mpi" ]; then module load mpi/${mpi}-%{_arch} libdir=%{_libdir}/${mpi}/lib fmoddir=$MPI_FORTRAN_MOD_DIR mkdir -p %{buildroot}$MPI_BIN mv %{buildroot}%{_bindir}/elpa2_print_kernels${s} %{buildroot}$MPI_BIN module unload mpi/${mpi}-%{_arch} else libdir=%{_libdir} fmoddir=%{_fmoddir} fi execstack -c .libs/libelpa${s}.so.%{sover}.* %{buildroot}${libdir}/libelpa${s}.so.%{sover}.* mkdir -p %{buildroot}${fmoddir} for f in $(ls -1 %{buildroot}%{_includedir}/elpa${s}-%{version}/modules/*.mod) ; do m=$(basename ${f} .mod) mv %{buildroot}%{_includedir}/elpa${s}-%{version}/modules/${m}.mod %{buildroot}${fmoddir}/${m}${s}.mod done rmdir %{buildroot}%{_includedir}/elpa${s}-%{version}/modules rm %{buildroot}${libdir}/libelpa${s}.la popd done done echo ".so elpa2_print_kernels.1" > %{buildroot}%{_mandir}/man1/elpa2_print_kernels_openmp.1 %if %{with check} %check # Test suite failures # Build time: minutes # Number of tests: serial - 83, MPI - 127 # build time serial serial+omp mpich mpich+omp openmpi openmpi+omp # aarch64 20 3 9 3 7 3 3 # armv7hl N/A N/A N/A N/A N/A N/A N/A # i686 24 0 8 0 8 0 0 # ppc64le 13 9 16 10 14 10 10 # s390x 11 0 5 0 2 0 0 # x86_64 23 0 18 0 12 0 0 . /etc/profile.d/modules.sh for s in '' _openmp ; do for mpi in '' mpich openmpi ; do pushd ${s:-.}/${mpi:-serial} if [ -n "$mpi" ]; then module load mpi/${mpi}-%{_arch} MTASKS=$(expr \( %{_smp_build_ncpus} + 1 \) / 2) else MTASKS=%{_smp_build_ncpus} fi if [ -n "$s" ]; then export OMP_NUM_THREADS=2 MFLAGS="-j$(expr \( $MTASKS + 1 \) / 2)" else unset OMP_NUM_THREADS MFLAGS="-j$MTASKS" fi make check V=1 TEST_FLAGS="150 50 16" $MFLAGS || cat ./test-suite.log if [ -n "$mpi" ]; then module unload mpi/${mpi}-%{_arch} fi popd done done %endif %ldconfig_scriptlets %ldconfig_scriptlets mpich %ldconfig_scriptlets openmpi %files %{_bindir}/elpa2_print_kernels %{_bindir}/elpa2_print_kernels_openmp %{_libdir}/libelpa.so.%{sover}* %{_libdir}/libelpa_openmp.so.%{sover}* %files common %license %{_pkgdocdir}/COPYING %license %{_pkgdocdir}/LICENSE %license %{_pkgdocdir}/gpl.txt %license %{_pkgdocdir}/lgpl.txt %{_pkgdocdir}/README.md %{_mandir}/man1/elpa2_print_kernels.1* %{_mandir}/man1/elpa2_print_kernels_openmp.1* %files common-devel %{_includedir}/elpa-%{version} %{_includedir}/elpa_openmp-%{version} %{_pkgdocdir}/Changelog %{_pkgdocdir}/CONTRIBUTING.md %exclude %{_pkgdocdir}/INSTALL.md %{_pkgdocdir}/USERS_GUIDE.md %{_pkgdocdir}/USERS_GUIDE_DEPRECATED_LEGACY_API.md %{_mandir}/man3/elpa_*.3* %{_mandir}/man3/solve_evp_*.3* %files devel %{_libdir}/libelpa.so %{_libdir}/libelpa_openmp.so %{_libdir}/pkgconfig/elpa-%{version}.pc %{_libdir}/pkgconfig/elpa_openmp-%{version}.pc %{_fmoddir}/*.mod %files mpich %{_libdir}/mpich/bin/elpa2_print_kernels %{_libdir}/mpich/bin/elpa2_print_kernels_openmp %{_libdir}/mpich/lib/libelpa.so.%{sover}* %{_libdir}/mpich/lib/libelpa_openmp.so.%{sover}* %files mpich-devel %{_libdir}/mpich/lib/libelpa.so %{_libdir}/mpich/lib/libelpa_openmp.so %{_libdir}/mpich/lib/pkgconfig/elpa-%{version}.pc %{_libdir}/mpich/lib/pkgconfig/elpa_openmp-%{version}.pc %{_fmoddir}/mpich*/*.mod %files openmpi %{_libdir}/openmpi/bin/elpa2_print_kernels %{_libdir}/openmpi/bin/elpa2_print_kernels_openmp %{_libdir}/openmpi/lib/libelpa.so.%{sover}* %{_libdir}/openmpi/lib/libelpa_openmp.so.%{sover}* %files openmpi-devel %{_libdir}/openmpi/lib/libelpa.so %{_libdir}/openmpi/lib/libelpa_openmp.so %{_libdir}/openmpi/lib/pkgconfig/elpa-%{version}.pc %{_libdir}/openmpi/lib/pkgconfig/elpa_openmp-%{version}.pc %{_fmoddir}/openmpi*/*.mod %changelog * Sun Apr 05 2020 Dominik Mierzejewski 2019.05.002-3 - fix test failures on x86_64 - work around compilation errors with gfortran 10 * Tue Jan 28 2020 Fedora Release Engineering - 2019.05.002-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_32_Mass_Rebuild * Fri Dec 06 2019 Dominik Mierzejewski 2019.05.002-1 - update to 2019.05.002 (ABI and API break) - add new GPG key - drop upstreamed papi detection patch - build VSX kernels on ppc64le (Power8) - build NEON kernels on aarch64 - re-enable OpenMPI tests on i686 - disable FMA usage on aarc64 to fix failing tests - parallelize test suite according to upstream guidance - decrease matrix size to make test suite run faster * Wed Jul 24 2019 Fedora Release Engineering - 2017.05.003-6 - Rebuilt for https://fedoraproject.org/wiki/Fedora_31_Mass_Rebuild * Thu Feb 14 2019 Orion Poplawski - 2017.05.003-5 - Rebuild for openmpi 3.1.3 * Thu Jan 31 2019 Fedora Release Engineering - 2017.05.003-4 - Rebuilt for https://fedoraproject.org/wiki/Fedora_30_Mass_Rebuild * Thu Jul 12 2018 Fedora Release Engineering - 2017.05.003-3 - Rebuilt for https://fedoraproject.org/wiki/Fedora_29_Mass_Rebuild * Wed Feb 07 2018 Fedora Release Engineering - 2017.05.003-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_28_Mass_Rebuild * Fri Nov 10 2017 Dominik Mierzejewski 2017.05.003-1 - update to 2017.05.003 (ABI and API break) - drop obsolete openblas patch - re-enable OpenMPI OpenMP builds - enable papi on supported arches - build and ship non-MPI version (without _onenode suffix) - provide a man-link for openmp version of elpa2_print_kernels - execstack is now available everywhere - include and verify GPG signature - conditionalize running tests and reduce testsuite runtime per upstream recommendation - split out API documentation and headers into -common-devel subpackage - disable all non-generic kernels on non-x86_64 for now - disable testing under OpenMPI for now (rhbz#1512229) * Wed Aug 02 2017 Fedora Release Engineering - 2015.11.001-8 - Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Binutils_Mass_Rebuild * Wed Jul 26 2017 Fedora Release Engineering - 2015.11.001-7 - Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Mass_Rebuild * Mon Jun 12 2017 Dominik Mierzejewski 2015.11.001-6 - fix AVX2 instructions usage enablement (#1383412) * Sun Jun 11 2017 Dominik Mierzejewski 2015.11.001-5 - update URL and Source URL, switch to https - factorize build process - fix Fortran mods path (#1409235) - build against openblas on supported arches to match scalapack - don't run the testsuite on ARM 32bit (takes 6.5 hours) - execstack is not available on some arches for EPEL (#1460531) * Fri Feb 10 2017 Fedora Release Engineering - 2015.11.001-4 - Rebuilt for https://fedoraproject.org/wiki/Fedora_26_Mass_Rebuild * Sun Nov 13 2016 Peter Robinson 2015.11.001-3 - Rebuild (Power64) * Fri Oct 21 2016 Orion Poplawski - 2015.11.001-2 - Rebuild for openmpi 2.0 * Sun Apr 03 2016 Dominik Mierzejewski 2015.11.001-1 - update to 2015.11.001 release - update URL and Source URL - fix AVX(2) support detection and usage - drop condition around execstack usage, it's available everywhere now - drop _opt_cc_suffix usage and factor out more stuff into common macros * Wed Feb 03 2016 Fedora Release Engineering - 2015.05.001-4 - Rebuilt for https://fedoraproject.org/wiki/Fedora_24_Mass_Rebuild * Tue Sep 15 2015 Orion Poplawski - 2015.05.001-3 - Rebuild for openmpi 1.10.0 * Mon Aug 10 2015 Sandro Mani - 2015.05.001-2 - Rebuild for RPM MPI Requires Provides Change * Thu Aug 06 2015 Dominik Mierzejewski 2015.05.001-1 - update to 2015.05.001 release - don't use all available cores for the testsuite (interferes with OpenMP) (work around #1220161) - drop obsolete comments and rename patch0 appropriately - fix AVX support detection * Tue Aug 04 2015 Zbigniew Jędrzejewski-Szmek - 2015.02.002-6 - Use new execstack (#1247795) * Wed Jun 17 2015 Fedora Release Engineering - 2015.02.002-5 - Rebuilt for https://fedoraproject.org/wiki/Fedora_23_Mass_Rebuild * Mon May 04 2015 Dominik Mierzejewski 2015.02.002-4 - fix build on EPEL7 (missing _pkgdocdir macro and BR: rsh for openmpi) - move examples to -devel subpackage - print whole testsuite log in case of test failure - re-enable openmpi tests on i686 and armv7hl * Sat May 02 2015 Kalev Lember - 2015.02.002-3 - Rebuilt for GCC 5 C++11 ABI change * Mon Mar 23 2015 Zbigniew Jędrzejewski-Szmek - 2015.02.002-2 - Rebuild for fortran update (#1204420) * Thu Mar 19 2015 Dominik Mierzejewski 2015.02.002-1 - update to 2015.02.002 release (ABI change) - drop libtool bug workaround - make builds more verbose - take advantage of upstream build system improvements - ship C headers in -devel subpackage * Mon Mar 16 2015 Thomas Spura - 2013.11-6.008 - Rebuild for changed mpich libraries * Tue Sep 16 2014 Dominik Mierzejewski 2013.11-5.008 - fix release string broken by previous bump by releng script - disable openmpi tests on armv7hl (bug #1144408) * Sat Aug 16 2014 Fedora Release Engineering - 2013.11-4.9 - Rebuilt for https://fedoraproject.org/wiki/Fedora_21_22_Mass_Rebuild * Thu Jul 3 2014 Peter Robinson 2013.11-4.008 - aarch64/ppc64le don't have prelink * Sun Jun 29 2014 Dominik Mierzejewski 2013.11-3.008 - fix typo in execstack -c call - link against atlas * Thu Jun 26 2014 Dominik Mierzejewski 2013.11-2.008 - remove executable stack from installed libraries - fix undefined non-weak mpi symbols - reorder build section and drop some redundant parts - add missing gfortran Requires for -devel subpackages - use correct URL and provide link to source tarball * Tue Jun 24 2014 Dominik Mierzejewski 2013.11-1.008 - initial build